Research workbench
Cryoem structure of ABO1 walker B (E372Q) mutant hexamer - ATP complex
Analyse Cryoem structure of ABO1 walker B (E372Q) mutant hexamer - ATP complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6JQ0
- Type
- protein
- Length
- 3,337 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized aaa domain-containing protein C31G5.19; Unknown substrate
- UniProt
- O14114
- Ligands
- ATP, ADP
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 7 distinct chains · 35% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized aaa domain-containing protein C31G5.19 | protein | 516 | 34% helix, 9% strand | O14114 |
| B | Uncharacterized aaa domain-containing protein C31G5.19 | protein | 571 | 35% helix, 7% strand | O14114 |
| C | Uncharacterized aaa domain-containing protein C31G5.19 | protein | 569 | 38% helix, 9% strand | O14114 |
| D | Uncharacterized aaa domain-containing protein C31G5.19 | protein | 566 | 36% helix, 6% strand | O14114 |
| E | Uncharacterized aaa domain-containing protein C31G5.19 | protein | 577 | 34% helix, 7% strand | O14114 |
| F | Uncharacterized aaa domain-containing protein C31G5.19 | protein | 524 | 33% helix, 8% strand | O14114 |
| G | Unknown substrate | protein | 14 | 0% helix, 14% strand | — |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 5 copies · chains A, B, C, D, E, F
- ADP · Adenosine-5'-diphosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 850 | 0.85 | 0.87 | 99 | ATP |
| 2 | 988 | 0.83 | 0.84 | 119 | empty |
| 3 | 790 | 0.83 | 0.86 | 91 | empty |
| 4 | 810 | 0.83 | 0.85 | 103 | ATP |
| 5 | 872 | 0.82 | 0.84 | 101 | ATP |
Interfaces
18 interfaces between chains.
- D–E · 5024 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 4934 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 4899 Ų buried · 28 hydrogen bonds · protein-protein
- B–C · 4833 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 4694 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 23 covalent (covalent ligand).
Compared structures
- 6JQ0 · CryoEM structure of Abo1 Walker B (E372Q) mutant hexamer - ATP complex · the same entry in another collection · chain G against G, TM-score 1.00
- O14114 · AlphaFold monomer V2.0 prediction for uncharacterized aaa domain- containing protein… · a predicted model of the same protein · chain E against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O14114
- Elsewhere: RCSB PDB 6JQ0 · PDBe 6JQ0 · UniProt O14114
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.